cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium

Systemtic Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium Openeye Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]ammonium CAS Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]ammonium IUPAC Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium Traditional Name: cyclopropyl-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]-p-anisyl-ammonium Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)C4CC4

InChI

InChI=1S/C22H27N3O3S/c1-28-19-8-4-17(5-9-19)15-25(18-6-7-18)16-21(26)23-10-12-24(13-11-23)22(27)20-3-2-14-29-20/h2-5,8-9,14,18H,6-7,10-13,15-16H2,1H3/p+1